theonellamide E
- Norine ID: NOR00569
- DOI: 10.26097/nor00569
- Family: theonellamide
- Synonym(s): theonellamide E;
- Activity: toxin
- Category: glycopeptide
- Formula: C75H97Br2N16O27
- Monoisotopic mass: 1811.507582978 g/mol
- Comment: Theonellamides are putative NRPS products (no synthetase genes identified)
- Source: norine
- Contributor (creation): Norine Team [CRIStAL (UMR CNRS 9189), ex-LIFL, France, Charles Viollette Institute, ProBioGEM team, Lille, France, University of Lille, France]
- Entry information:
- status: putative - change status to non-NRP (Norine validators only)
- last modification date: 2018-12-01 by Emma Ricart Altimiras [Swiss Institute of Bioinformatics, SIB]
- view all entry history
- Type: double cyclic
- Number of monomers: 13
- Smiles: C[C@@H]([C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N[C@H](C(=O)N[C@@H]2CN3C=C(C[C@@H](C(=O)N1)NC(=O)C[C@@H](C[C@H](NC(=O)CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CC(=O)N)[C@H](C(=O)N)O)CC4=CC=C(C=C4)Br)C(=O)[O-])O)[N+](=C3)[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)CO)[C@H](/C=C(\C)/C=C/C6=CC=C(C=C6)Br)O)CC7=CC=CC=C7)CO)O
- Graph inference:
- Monomeric composition :
1 Ser 
2 C8:2(5.7)-Me(6)-OH(4)-NH2(3)-brPh(8) -Me(6)-OH(4)-NH2(3)-brPh(8).png "C8:2(5.7)-Me(6)-OH(4)-NH2(3)-brPh(8) chemical structure")
3 Phe 
4 Ser
5 aThr 
6 His 
7 Ahad 
8 bAla 
9 Br-Phe 
10 OH-Asn 
11 Asn 
12 Ala 
13 bD-Gal 
- Graph representation: Ser,C8:2(5.7)-Me(6)-OH(4)-NH2(3)-brPh(8),Phe,Ser,aThr,His,Ahad,bAla,Br-Phe,OH-Asn,Asn,Ala,bD-Gal @11,1 @0,2 @1,3 @2,4 @3,5 @4,6,11,12 @5,7 @6,8 @7,9 @8,10 @9,11 @0,10,5 @5
- Atomic structure:
vizualisation:
- Theonella sp.
- gram:
- synonyms:
- taxid: 73791 (view NCBI taxonomy browser)
- Links between organisms producing the theonellamide E: Theonella sp.
- Theonellamides A-E, cytotoxic bicyclic peptides, from a marine sponge Theonella sp.
Matsunaga S, Fusetani N, Journal of Organic Chemistry , 1995, 60 (5), pp. 1177-1181
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